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Substance Name: Depatuxizumab mafodotin [USAN]
RN: 1585973-65-4
UNII: F3R7A4P04N
InChIKey: BXTJCSYMGFJEID-XMTADJHZSA-N

Classification Code

  • Treatment of Cancer

Molecular Formula

  • C6624-H10228-N1728-O2052-S42.(C49-H76-N6-O11)n (unglycosylated)

Molecular Weight

  • 1046.3297
 
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Names and Synonyms

Name of Substance

  • Depatuxizumab mafodotin [USAN]

Synonyms

  • ABT-414
  • Depatuxizumab mafodotin
  • UNII-F3R7A4P04N

Systematic Name

  • Immunoglobulin G1, anti-(human epidermal growth factor receptor) (human-Mus musculus monoclonal ABT-806 heavy chain), disulfide with human-Mus musculus monoclonal ABT-806 light chain, dimer, tetrakis(thioether) with N-(6-(3-mercapto-2,5-dioxo-1-pyrrolidinyl)-1-oxohexyl)-N-methyl-L-valyl-L-valyl-(3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoyl-(alphaR,betaR,2S)-beta-methoxy-alpha-methyl-2-pyrrolidinepropanoyl-L-phenylalanine

Registry Numbers

CAS Registry Number

  • 1585973-65-4

FDA UNII

  • F3R7A4P04N

System Generated Number

  • 1585973654

Structure Descriptors

InChI

1S/C52H83N7O13S/c1-12-32(6)45(38(71-10)27-41(61)58-25-19-22-37(58)46(72-11)33(7)47(63)54-36(52(69)70)26-34-20-15-13-16-21-34)57(9)50(66)43(30(2)3)55-48(64)44(31(4)5)56(8)40(60)23-17-14-18-24-59-42(62)28-39(49(59)65)73-29-35(53)51(67)68/h13,15-16,20-21,30-33,35-39,43-46H,12,14,17-19,22-29,53H2,1-11H3,(H,54,63)(H,55,64)(H,67,68)(H,69,70)/t32-,33+,35-,36-,37-,38+,39?,43-,44-,45-,46+/m0/s1

InChIKey

BXTJCSYMGFJEID-XMTADJHZSA-N

Smiles

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)CCCCCN3C(=O)CC(SC[C@H](N)C(=O)O)C3=O)C(C)C